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Absorption and emission properties of photonic crystals and metamaterials
We study the emission and absorption properties of photonic crystals and metamaterials using Comsol Multiphysics and Ansoft HFSS as simulation tools. We calculate the emission properties of metallic designs using drude model and the results illustrate that an appropriate termination of the surface of the metallic structure can significantly increase the absorption and therefore the thermal emissivity. We investigate the spontaneous emission rate modifications that occur for emitters inside two-dimensional photonic crystals and find the isotropic and directional emissions with respect to different frequencies as we have expected.
Accelerator Mass Spectrometry Measurements of Plutonium in Sediment and Seawater from the Marshall Islands
During the summer 2000, I was given the opportunity to work for about three months as a technical trainee at Lawrence Livermore National Laboratory, or LLNL as I will refer to it hereafter. University of California runs this Department of Energy laboratory, which is located 70 km east of San Francisco, in the small city of Livermore. This master thesis in Radioecology is based on the work I did here. LLNL, as a second U.S.-facility for development of nuclear weapons, was built in Livermore in the beginning of the 1950's (Los Alamos in New Mexico was the other one). It has since then also become a 'science center' for a number of areas like magnetic and laser fusion energy, non-nuclear energy, biomedicine, and environmental science. The Laboratory's mission has changed over the years to meet new national needs. The following two statements were found on the homepage of LLNL (http://www.llnl.gov), at 2001-03-05, where also information about the laboratory and the scientific projects that takes place there, can be found. 'Our primary mission is to ensure that the nation's nuclear weapons remain safe, secure, and reliable and to prevent the spread and use of nuclear weapons worldwide'. 'Our goal is to apply the best science and technology to enhance the security and well-being of the nation and to make the world a safer place.' The Marshall Islands Dose Assessment and Radioecology group at the Health and Ecological Assessments division employed me, and I also worked to some extent with the Centre for Accelerator Mass Spectrometry (CAMS) group. The work I did at LLNL can be divided into two parts. In the first part Plutonium (Pu) measurements in sediments from the Rongelap atoll in Marshall Islands, using Accelerator Mass Spectrometry (AMS) were done. The method for measuring these kinds of samples is …
An Adaptive Landscape Classification Procedure using Geoinformatics and Artificial Neural Networks
The Adaptive Landscape Classification Procedure (ALCP), which links the advanced geospatial analysis capabilities of Geographic Information Systems (GISs) and Artificial Neural Networks (ANNs) and particularly Self-Organizing Maps (SOMs), is proposed as a method for establishing and reducing complex data relationships. Its adaptive and evolutionary capability is evaluated for situations where varying types of data can be combined to address different prediction and/or management needs such as hydrologic response, water quality, aquatic habitat, groundwater recharge, land use, instrumentation placement, and forecast scenarios. The research presented here documents and presents favorable results of a procedure that aims to be a powerful and flexible spatial data classifier that fuses the strengths of geoinformatics and the intelligence of SOMs to provide data patterns and spatial information for environmental managers and researchers. This research shows how evaluation and analysis of spatial and/or temporal patterns in the landscape can provide insight into complex ecological, hydrological, climatic, and other natural and anthropogenic-influenced processes. Certainly, environmental management and research within heterogeneous watersheds provide challenges for consistent evaluation and understanding of system functions. For instance, watersheds over a range of scales are likely to exhibit varying levels of diversity in their characteristics of climate, hydrology, physiography, ecology, and anthropogenic influence. Furthermore, it has become evident that understanding and analyzing these diverse systems can be difficult not only because of varying natural characteristics, but also because of the availability, quality, and variability of spatial and temporal data. Developments in geospatial technologies, however, are providing a wide range of relevant data, and in many cases, at a high temporal and spatial resolution. Such data resources can take the form of high-dimensional data arrays, which can difficult to fully use. Establishing relationships among high-dimensional datasets through neurocomputing based patterning methods can help 1) resolve large volumes of data into a meaningful form; …
Ambient and elevated temperature fracture and cyclic-fatigue properties in a series of Al-containing silicon carbides
A series of in situ toughened, Al, B and C containing, silicon carbide ceramics (ABC-SiC) has been examined with Al contents varying from 3 to 7 wt%. With increasing Al additions, the grain morphology in the as-processed microstructures varied from elongated to bimodal to equiaxed, with a change in the nature of the grain-boundary film from amorphous to partially crystalline to fully crystalline. Fracture toughness and cyclic fatigue tests on these microstructures revealed that although the 7 wt.% Al containing material (7ABC) was extremely brittle, the 3 and particularly 5 wt.% Al materials (3ABC and 5ABC, respectively) displayed excellent crack-growth resistance at both ambient (25 C) and elevated (1300 C) temperatures. Indeed, no evidence of creep damage, in the form of grain-boundary cavitation, was seen at temperatures at 1300 C or below. The enhanced toughness of the higher Al-containing materials was associated with extensive crack bridging from both interlocking grains (in 3ABC) and uncracked ligaments (in 5ABC); in contrast, the 7ABC SiC showed no such bridging, concomitant with a marked reduction in the volume fraction of elongated grains. Mechanistically, cyclic fatigue-crack growth in 3ABC and 5ABC SiC involved the progressive degradation of such bridging ligaments in the crack wake, with the difference in the degree of elastic vs. frictional bridging affecting the slope, i.e., Paris law exponent, of the crack-growth curve. In addition an investigation of fracture resistance in non-transforming ceramics toughened by grain bridging mechanism is presented using linear elastic fracture mechanics (LEFM). Linear superposition theorems are used for the superposition of crack opening displacements, as well as stress intensity factors, resulting from the external tractions and the internal compressive bridging stresses. Specifically weight functions are used to relate the CODs, stress intensity factors, and tractions and the bridging stress. Expressions are derived for apparent material resistance, the bridging …
Automated High Throughput Protein Crystallization Screening at Nanoliter Scale and Protein Structural Study on Lactate Dehydrogenase
The purposes of our research were: (1) To develop an economical, easy to use, automated, high throughput system for large scale protein crystallization screening. (2) To develop a new protein crystallization method with high screening efficiency, low protein consumption and complete compatibility with high throughput screening system. (3) To determine the structure of lactate dehydrogenase complexed with NADH by x-ray protein crystallography to study its inherent structural properties. Firstly, we demonstrated large scale protein crystallization screening can be performed in a high throughput manner with low cost, easy operation. The overall system integrates liquid dispensing, crystallization and detection and serves as a whole solution to protein crystallization screening. The system can dispense protein and multiple different precipitants in nanoliter scale and in parallel. A new detection scheme, native fluorescence, has been developed in this system to form a two-detector system with a visible light detector for detecting protein crystallization screening results. This detection scheme has capability of eliminating common false positives by distinguishing protein crystals from inorganic crystals in a high throughput and non-destructive manner. The entire system from liquid dispensing, crystallization to crystal detection is essentially parallel, high throughput and compatible with automation. The system was successfully demonstrated by lysozyme crystallization screening. Secondly, we developed a new crystallization method with high screening efficiency, low protein consumption and compatibility with automation and high throughput. In this crystallization method, a gas permeable membrane is employed to achieve the gentle evaporation required by protein crystallization. Protein consumption is significantly reduced to nanoliter scale for each condition and thus permits exploring more conditions in a phase diagram for given amount of protein. In addition, evaporation rate can be controlled or adjusted in this method during the crystallization process to favor either nucleation or growing processes for optimizing crystallization process. The protein crystals gotten …
Benchmarks and models for 1-D radiation transport in stochastic participating media
Benchmark calculations for radiation transport coupled to a material temperature equation in a 1-D slab and 1-D spherical geometry binary random media are presented. The mixing statistics are taken to be homogeneous Markov statistics in the 1-D slab but only approximately Markov statistics in the 1-D sphere. The material chunk sizes are described by Poisson distribution functions. The material opacities are first taken to be constant and then allowed to vary as a strong function of material temperature. Benchmark values and variances for time evolution of the ensemble average of material temperature energy density and radiation transmission are computed via a Monte Carlo type method. These benchmarks are used as a basis for comparison with three other approximate methods of solution. One of these approximate methods is simple atomic mix. The second approximate model is an adaptation of what is commonly called the Levermore-Pomraning model and which is referred to here as the standard model. It is shown that recasting the temperature coupling as a type of effective scattering can be useful in formulating the third approximate model, an adaptation of a model due to Su and Pomraning which attempts to account for the effects of scattering in a stochastic context. This last adaptation shows consistent improvement over both the atomic mix and standard models when used in the 1-D slab geometry but shows limited improvement in the 1-D spherical geometry. Benchmark values are also computed for radiation transmission from the 1-D sphere without material heating present. This is to evaluate the performance of the standard model on this geometry--something which has never been done before. All of the various tests demonstrate the importance of stochastic structure on the solution. Also demonstrated are the range of usefulness and limitations of a simple atomic mix formulation.
Biomimetic Nanocomposites of Calcium Phosphate and Self-Assembling Triblock and Pentablock Copolymers
In an effort to mimic the growth of natural bone, self-assembling, micelle and gel-forming copolymers were used as a template for calcium phosphate precipitation. Because of the cationic characteristics imparted by PDEAEM end group additions to commercially available Pluronic{reg_sign} Fl27, a direct ionic attraction mechanism was utilized and a polymer-brushite nanocomposite spheres were produced. Brushite coated spherical micelles with diameters of {approx}40 nm, and agglomerates of these particles (on the order of 0.5 {mu}m) were obtained. Thickness and durability of the calcium phosphate coating, and the extent of agglomeration were studied. The coating has been shown to be robust enough to retain its integrity even below polymer critical micelle concentration and/or temperature. Calcium phosphate-polymer gel nanocomposites were also prepared. Gel samples appeared as a single phase network of agglomerated spherical micelles, and had a final calcium phosphate concentration of up to 15 wt%. Analysis with x-ray diffraction and NMR indicated a disordered brushite phase with the phosphate groups linking inorganic phase to the polymer.
Characterization of piesoelectric ZnO thin films and the fabrication of piezoelectric micro-cantilevers
In Atomic Force Microscopy (AFM), a microcantilever is raster scanned across the surface of a sample in order to obtain a topographical image of the sample's surface. In a traditional, optical AFM, the sample rests on a bulk piezoelectric tube and a control loop is used to control the tip-sample separation by actuating the piezo-tube. This method has several disadvantages--the most noticeable one being that response time of the piezo-tube is rather long which leads to slow imaging speeds. One possible solution aimed at improving the speed of imaging is to incorporate a thin piezoelectric film on top of the cantilever beam. This design not only improves the speed of imaging because the piezoelectric film replaces the piezo-tube as an actuator, but the film can also act as a sensor. In addition, the piezoelectric film can excite the cantilever beam near its resonance frequency. This project aims to fabricate piezoelectric microcantilevers for use in the AFM. Prior to fabricating the cantilevers and also part of this project, a systematic study was performed to examine the effects of deposition conditions on the quality of piezoelectric ZnO thin films deposited by RF sputtering. These results will be presented. The deposition parameters that produced the highest quality ZnO film were used in the fabrication of the piezoelectric cantilevers. Unfortunately, the fabricated cantilevers warped due to the intrinsic stress of the ZnO film and were therefore not usable in the AFM. The complete fabrication process will be detailed, the results will be discussed and reasons for the warping will be examined.
Computational Fluid Dynamics Simulation of Fluidized Bed Polymerization Reactors
Fluidized beds (FB) reactors are widely used in the polymerization industry due to their superior heat- and mass-transfer characteristics. Nevertheless, problems associated with local overheating of polymer particles and excessive agglomeration leading to FB reactors defluidization still persist and limit the range of operating temperatures that can be safely achieved in plant-scale reactors. Many people have been worked on the modeling of FB polymerization reactors, and quite a few models are available in the open literature, such as the well-mixed model developed by McAuley, Talbot, and Harris (1994), the constant bubble size model (Choi and Ray, 1985) and the heterogeneous three phase model (Fernandes and Lona, 2002). Most these research works focus on the kinetic aspects, but from industrial viewpoint, the behavior of FB reactors should be modeled by considering the particle and fluid dynamics in the reactor. Computational fluid dynamics (CFD) is a powerful tool for understanding the effect of fluid dynamics on chemical reactor performance. For single-phase flows, CFD models for turbulent reacting flows are now well understood and routinely applied to investigate complex flows with detailed chemistry. For multiphase flows, the state-of-the-art in CFD models is changing rapidly and it is now possible to predict reasonably well the flow characteristics of gas-solid FB reactors with mono-dispersed, non-cohesive solids. This thesis is organized into seven chapters. In Chapter 2, an overview of fluidized bed polymerization reactors is given, and a simplified two-site kinetic mechanism are discussed. Some basic theories used in our work are given in detail in Chapter 3. First, the governing equations and other constitutive equations for the multi-fluid model are summarized, and the kinetic theory for describing the solid stress tensor is discussed. The detailed derivation of DQMOM for the population balance equation is given as the second section. In this section, monovariate population balance, …
COUPLED MULTI-GROUP NEUTRON PHOTON TRANSPORT FOR THE SIMULATION OF HIGH-RESOLUTION GAMMA-RAY SPECTROSCOPY APPLICATIONS
The accurate and efficient simulation of coupled neutron-photon problems is necessary for several important radiation detection applications. Examples include the detection of nuclear threats concealed in cargo containers and prompt gamma neutron activation analysis for nondestructive determination of elemental composition of unknown samples.
Couples Magnetic and Structural Transitions in High-Purity Dy and Gd5SbxGe4-x
Magnetic materials exhibiting magnetic phase transitions simultaneously with structural rearrangements of their crystal lattices hold a promise for numerous applications including magnetic refrigeration, magnetomechanical devices and sensors. We undertook a detailed study of a single crystal of dysprosium metal, which is a classical example of a system where magnetic and crystallographic sublattices can be either coupled or decoupled from one another. Magnetocaloric effect, magnetization, ac magnetic susceptibility, and heat capacity of high purity single crystals of dysprosium have been investigated over broad temperature and magnetic field intervals with the magnetic field vector parallel to either the a- or c-axes of the crystal. Notable differences in the behavior of the physical properties when compared to Dy samples studied in the past have been observed between 110 K and 125 K, and between 178 K and {approx}210 K. A plausible mechanism based on the formation of antiferromagnetic clusters in the impure Dy has been suggested in order to explain the reduction of the magnetocaloric effect in the vicinity of the Neel point. Experimental and theoretical investigations of the influence of commensurability effects on the magnetic phase diagram and the value of the magnetocaloric effect have been conducted. The presence of newly found anomalies in the physical properties has been considered as evidence of previously unreported states of Dy. The refined magnetic phase diagram of dysprosium with the magnetic field vector parallel to the a-axis of a crystal has been constructed and discussed. The magnetic and crystallographic properties of Gd{sub 5}Sb{sub x}Ge{sub 4-x} pseudo-binary system were studied by x-ray diffraction (at room temperature), heat capacity, ac-magnetic susceptibility, and magnetization in the temperature interval 5-320 K in magnetic fields up to 100 kOe. The magnetic properties of three composition (x = 0.5, 1,2) were examined in detail. The Gd{sub 5}Sb{sub 2}Ge{sub 2} compound that …
Current developments in laser ablation-inductively coupled plasma-mass spectrometry for use in geology, forensics, and nuclear nonproliferation research
This dissertation focused on new applications of laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). The diverse fields that were investigated show the versatility of the technique. In Chapter 2, LA-ICP-MS was used to investigate the rare earth element (REE) profiles of garnets from the Broken Hill Deposit in New South Wales, Australia. The normalized REE profiles helped to shed new light on the formation of deposits of sulfide ores. This information may be helpful in identifying the location of sulfide ore deposits in other locations. New sources of metals such as Pg, Zn, and Ag, produced from these ores, are needed to sustain our current technological society. The application of LA-ICP-MS presented in Chapter 3 is the forensics analysis of automotive putty and caulking. The elemental analysis of these materials was combined with the use of Principal Components Analysis (PCA). The PCA comparison was able to differentiate the automotive putty samples by manufacturer and lot number. The analysis of caulk was able to show a differentiation based on manufacturer, but no clear differentiation was shown by lot number. This differentiation may allow matching of evidence in the future. This will require many more analyses and the construction of a database made up of many different samples. The 4th chapter was a study of the capabilities of LA-ICP-MS for fast and precise analysis of particle ensembles for nuclear nonproliferation applications. Laser ablation has the ability to spatially resolve particle ensembles which may contain uranium or other actinides from other particles present in a sample. This is of importance in samples obtained from air on filter media. The particle ensembles of interest may be mixed in amongst dust and other particulates. A problem arises when ablating these particle ensembles directly from the filter media. Dust particles other than ones of interest …
Design and Evaluation of System Configurations for an EUV Mask Inspection Microscope
This document is the third sub-report of the EUV AIM design study being conducted at LLNL on behalf of International Sematech (ISMT). The purpose of this study as identified in section 1.2 of the statement of work is to research the basic user requirements of an actinic defect characterization tool, potential design configurations and top-level specifications. The objectives of this design study specifically identified in section 1.3 of the statement of work were to: (1) Determine the user requirements of an actinic defect characterization tool; (2) Determine if an EUV AIM tool is an appropriate platform for actinic defect characterization; (3) Determine possible design configurations and top-level performance specifications; (4) Identify potential technical issues and risks of different technical approaches; (5) Provide estimates of cost relating to different technical approaches; and (6) Provide simulated performance for key subsystems and the entire system. The sub-sections of the study to be addressed were accordingly defined in the statement of work as being: (1) Formulation of top-level specifications; (2) Identification of system configurations suitable for meeting the top-level specifications; (3) Preliminary design of imaging systems; (4) Preliminary design of illumination systems; (5) Prediction and comparison of performance through aerial image calculation; (6) Identification of sub-system requirements; (7) Identification of potential vendors; (8) Estimation of system cost; (9) Identification of technical issues; and (10) Definition of technology transfer or development required. Points 1 and 2 have already been addressed in previous reports to ISMT. This document addresses points 3 to 7, and 9 to 10 of the above list--formulation of a preliminary design of the imaging and illumination systems and the evaluation and comparison of potential designs through aerial image analysis. As such this report should be read in conjunction with and in the context of the previous two reports which separately addressed points …
Design of a boron neutron capture enhanced fast neutron therapy assembly
The use of boron neutron capture to boost tumor dose in fast neutron therapy has been investigated at several fast neutron therapy centers worldwide. This treatment is termed boron neutron capture enhanced fast neutron therapy (BNCEFNT). It is a combination of boron neutron capture therapy (BNCT) and fast neutron therapy (FNT). It is believed that BNCEFNT may be useful in the treatment of some radioresistant brain tumors, such as glioblastoma multiform (GBM). A boron neutron capture enhanced fast neutron therapy assembly has been designed for the Fermilab Neutron Therapy Facility (NTF). This assembly uses a tungsten filter and collimator near the patient's head, with a graphite reflector surrounding the head to significantly increase the dose due to boron neutron capture reactions. The assembly was designed using Monte Carlo radiation transport code MCNP version 5 for a standard 20x20 cm{sup 2} treatment beam. The calculated boron dose enhancement at 5.7-cm depth in a water-filled head phantom in the assembly with a 5x5 cm{sup 2} collimation was 21.9% per 100-ppm {sup 10}B for a 5.0-cm tungsten filter and 29.8% for a 8.5-cm tungsten filter. The corresponding dose rate for the 5.0-cm and 8.5-cm thick filters were 0.221 and 0.127 Gy/min, respectively; about 48.5% and 27.9% of the dose rate of the standard 10x10 cm{sup 2} fast neutron treatment beam. To validate the design calculations, a simplified BNCEFNT assembly was built using four lead bricks to form a 5x5 cm{sup 2} collimator. Five 1.0-cm thick 20x20 cm{sup 2} tungsten plates were used to obtain different filter thicknesses and graphite bricks/blocks were used to form a reflector. Measurements of the dose enhancement of the simplified assembly in a water-filled head phantom were performed using a pair of tissue-equivalent ion chambers. One of the ion chambers is loaded with 1000-ppm natural boron (184-ppm {sup 10}B) …
Design of Surface micromachined Compliant MEMS
The consideration of compliant mechanisms as Microelectromechanical Systems (MEMS) is the focus of this research endeavor. MEMS are micron to millimeter devices that combine electrical, mechanical, and information processing capabilities on the same device. These MEMS need some mechanical motion or parts that move relative to each other. This relative motion, using multiple parts, is not desired because of the assembly requirement and the friction introduced. Compliant devices limits or eliminates friction and the need for multi-component assembly. Compliant devices improve designs by creating single piece mechanisms. The purpose of this research is to validate surface micromachining as a viable fabrication process for compliant MEMS designs. Specifically, this research has sought to fabricate a micro-compliant gripper and a micro-compliant clamp to illustrate the process. While other researchers have created compliant MEMS, most have used comb-drive actuation methods and bulk micromachining processes. This research focuses on fully-compliant devices that use device flexibility for motion and actuation. Validation of these compliant MEMS is achieved by structural optimization of device design and functional performance testing. This research contributes to the ongoing research in MEMS by evaluating the potential of using surface micromachining as a process for fabricating compliant micro-mechanisms.
Designing of Metallic Photonic Structures and Applications
In this thesis our main interest has been to investigate metallic photonic crystal and its applications. We explained how to solve a periodic photonic structure with transfer matrix method and when and how to use modal expansion method. Two different coating methods were introduced, modifying a photonic structure's intrinsic optical properties and rigorous calculation results are presented. Two applications of metallic photonic structures are introduced. For thermal emitter, we showed how to design and find optimal structure. For conversion efficiency increasing filter, we calculated its efficiency and the way to design it. We presented the relation between emitting light spectrum and absorption and showed the material and structural dependency of the absorption spectrum. By choosing a proper base material and structural parameters, we can design a selective emitter at a certain region we are interested in. We have developed a theoretical model to analyze a blackbody filament enclosed by a metallic mesh which can increase the efficiency of converting a blackbody radiation to visible light. With this model we found that a square lattice metallic mesh enclosing a filament might increase the efficiency of incandescent lighting sources. Filling fraction and thickness dependency were examined and presented. Combining these two parameters is essential to achieve the maximum output result.
Detecting Molecular Properties by Various Laser-Based Techniques
Four different laser-based techniques were applied to study physical and chemical characteristics of biomolecules and dye molecules. These techniques are liole burning spectroscopy, single molecule spectroscopy, time-resolved coherent anti-Stokes Raman spectroscopy and laser-induced fluorescence microscopy. Results from hole burning and single molecule spectroscopy suggested that two antenna states (C708 & C714) of photosystem I from cyanobacterium Synechocystis PCC 6803 are connected by effective energy transfer and the corresponding energy transfer time is {approx}6 ps. In addition, results from hole burning spectroscopy indicated that the chlorophyll dimer of the C714 state has a large distribution of the dimer geometry. Direct observation of vibrational peaks and evolution of coumarin 153 in the electronic excited state was demonstrated by using the fs/ps CARS, a variation of time-resolved coherent anti-Stokes Raman spectroscopy. In three different solvents, methanol, acetonitrile, and butanol, a vibration peak related to the stretch of the carbonyl group exhibits different relaxation dynamics. Laser-induced fluorescence microscopy, along with the biomimetic containers-liposomes, allows the measurement of the enzymatic activity of individual alkaline phosphatase from bovine intestinal mucosa without potential interferences from glass surfaces. The result showed a wide distribution of the enzyme reactivity. Protein structural variation is one of the major reasons that are responsible for this highly heterogeneous behavior.
Determination of NAD+ and NADH level in a Single Cell Under H2O2 Stress by Capillary Electrophoresis
A capillary electrophoresis (CE) method is developed to determine both NAD{sup +} and NADH levels in a single cell, based on an enzymatic cycling reaction. The detection limit can reach down to 0.2 amol NAD{sup +} and 1 amol NADH on a home-made CE-LIF setup. The method showed good reproducibility and specificity. After an intact cell was injected into the inlet of a capillary and lysed using a Tesla coil, intracellular NAD{sup +} and NADH were separated, incubated with the cycling buffer, and quantified by the amount of fluorescent product generated. NADH and NAD{sup +} levels of single cells of three cell lines and primary astrocyte culture were determined using this method. Comparing cellular NAD{sup +} and NADH levels with and without exposure to oxidative stress induced by H{sub 2}O{sub 2}, it was found that H9c2 cells respond to the stress by reducing both cellular NAD{sup +} and NADH levels, while astrocytes respond by increasing cellular NADH/NAD{sup +} ratio.
Development of high Sensitivity Materials for Applications in Magneto-Mechanical Torque Sensor
The Matteucci effect, which mainly manifests itself as the change of magnetization of a material with torsional stress, is currently of great technological interest because of the search for magnetic torque sensors. Magnetic torque sensors are important to future improvements of automobiles and industrial robots. It is well known that the magnetic state of a material depends on both the external magnetic field and external stress which causes strain and change in magnetization of the material. The former phenomenon has been well understood in both theory and application. However, the magnetic state dependence of stress is not adequately understood and the experimental data is of limited extent. In this project, the Matteucci effect in iron, cobalt, nickel and permalloy rods has been documented when they were in magnetic remanence status along the axis and nickel ring when they were in remanence status along the circumference. The effect of annealing on the magnetomechanical effect in nickel and the temperature dependence of the magnetomechanical sensitivity has also been examined. Factors related to the sensitivity at equilibrium condition have been theoretically developed. it is found in the experiments that the mechanism of magnetic domain wall movement plays an important role rather than the domain rotation. A higher sensitivity was found by domain wall movement mechanism than that by domain rotation mechanism. However, the domain wall movement will result in more hysteresis than domain wall rotation. The dynamic process of Matteucci effect of iron, cobalt, permally, especially as-fabricated and annealed nickel rods have been examined. A tentative explanation for the difference of these in terms of magnetic domain configuration and domain wall movement was given. As a result, another method of configuring and processing magnetic domains to get a linear magnetomechanical response other than that suggested by Garshelis, which was the basic method before …
Development of Novel Electrode Materials for the Electrocatalysis of Oxygen-Transfer and Hydrogen-Transfer Reactions
Throughout this thesis, the fundamental aspects involved in the electrocatalysis of anodic O-transfer reactions and cathodic H-transfer reactions have been studied. The investigation into anodic O-transfer reactions at undoped and Fe(III)[doped MnO{sub 2} films] revealed that MnO{sub 2} film electrodes prepared by a cycling voltammetry deposition show improved response for DMSO oxidation at the film electrodes vs. the Au substrate. Doping of the MnO{sub 2} films with Fe(III) further enhanced electrode activity. Reasons for this increase are believed to involve the adsorption of DMSO by the Fe(III) sites. The investigation into anodic O-transfer reactions at undoped and Fe(III)-doped RuO{sub 2} films showed that the Fe(III)-doped RuO{sub 2}-film electrodes are applicable for anodic detection of sulfur compounds. The Fe(III) sites in the Fe-RuO{sub 2} films are speculated to act as adsorption sites for the sulfur species while the Ru(IV) sites function for anodic discharge of H{sub 2}O to generate the adsorbed OH species. The investigation into cathodic H-transfer reactions, specifically nitrate reduction, at various pure metals and their alloys demonstrated that the incorporation of metals into alloy materials can create a material that exhibits bifunctional properties for the various steps involved in the overall nitrate reduction reaction. The Sb{sub 10}Sn{sub 20}Ti{sub 70}, Cu{sub 63}Ni{sub 37} and Cu{sub 25}Ni{sub 75} alloy electrodes exhibited improved activity for nitrate reduction as compared to their pure component metals. The Cu{sub 63}Ni{sub 37} alloy displayed the highest activity for nitrate reduction. The final investigation was a detailed study of the electrocatalytic activity of cathodic H-transfer reactions (nitrate reduction) at various compositions of Cu-Ni alloy electrodes. Voltammetric response for NO{sub 3}{sup -} at the Cu-Ni alloy electrode is superior to the response at the pure Cu and Ni electrodes. This is explained on the basis of the synergism of the two different metal sites at these binary …
Development of Novel Polymeric Materials for Gene Therapy and pH-Sensitive Drug Delivery: Modeling, Synthesis, Characterization, and Analysis
The underlying theme of this thesis is the use of polymeric materials in bioapplications. Chapters 2-5 either develop a fundamental understanding of current materials used for bioapplications or establish protocols and procedures used in characterizing and synthesizing novel materials. In chapters 6 and 7 these principles and procedures are applied to the development of materials to be used for gene therapy and drug delivery. Chapter one is an introduction to the ideas that will be necessary to understand the subsequent chapters, as well as a literature review of these topics. Chapter two is a paper that has been published in the ''Journal of Controlled Release'' that examines the mechanism of drug release from a polymer gel, as well as experimental design suggestions for the evaluation of water soluble drug delivery systems. Chapter three is a paper that has been published in the ''Journal of Pharmaceutical Sciences'' that discusses the effect ionic salts have on properties of the polymer systems examined in chapter two. Chapter four is a paper published in the Materials Research Society Fall 2000 Symposium Series dealing with the design and synthesis of a pH-sensitive polymeric drug delivery device. Chapter five is a paper that has been published in the journal ''Biomaterials'' proposing a novel polymer/metal composite for use as a biomaterial in hip arthroplasty surgery. Chapter six is a paper that will appear in an upcoming volume of the Journal ''Biomaterials'' dealing with the synthesis of a novel water soluble cationic polymer with possible applications in non-viral gene therapy. Chapter seven is a paper that has been submitted to ''Macromolecules'' discussing several novel block copolymers based on poly(ethylene glycol) and poly(diethylamino ethyl methacrylate) that possess both pH-sensitive and temperature sensitive properties. Chapter eight contains a summary of the research contained in chapters 2-7 and proposes future research …
Device Optimization and Transient Electroluminescence Studies of Organic light Emitting Devices
Organic light emitting devices (OLEDs) are among the most promising for flat panel display technologies. They are light, bright, flexible, and cost effective. And while they are emerging in commercial product, their low power efficiency and long-term degradation are still challenging. The aim of this work was to investigate their device physics and improve their performance. Violet and blue OLEDs were studied. The devices were prepared by thermal vapor deposition in high vacuum. The combinatorial method was employed in device preparation. Both continuous wave and transient electroluminescence (EL) were studied. A new efficient and intense UV-violet light emitting device was developed. At a current density of 10 mA/cm{sup 2}, the optimal radiance R could reach 0.38 mW/cm{sup 2}, and the quantum efficiency was 1.25%. using the delayed EL technique, electron mobilities in DPVBi and CBP were determined to be {approx} 10{sup -5} cm{sup 2}/Vs and {approx} 10{sup -4} cm{sup 2}/Vs, respectively. Overshoot effects in the transient El of blue light emitting devices were also observed and studied. This effect was attributed to the charge accumulation at the organic/organic and organic/cathode interfaces.
Diagnostics of the Fermilab Tevatron using an AC dipole
The Fermilab Tevatron is currently the world's highest energy colliding beam facility. Its counter-rotating proton and antiproton beams collide at 2 TeV center-of-mass. Delivery of such intense beam fluxes to experiments has required improved knowledge of the Tevatron's beam optical lattice. An oscillating dipole magnet, referred to as an AC dipole, is one of such a tool to non-destructively assess the optical properties of the synchrotron. We discusses development of an AC dipole system for the Tevatron, a fast-oscillating (f {approx} 20 kHz) dipole magnet which can be adiabatically turned on and off to establish sustained coherent oscillations of the beam particles without affecting the transverse emittance. By utilizing an existing magnet and a higher power audio amplifier, the cost of the Tevatron AC dipole system became relatively inexpensive. We discuss corrections which must be applied to the driven oscillation measurements to obtain the proper interpretation of beam optical parameters from AC dipole studies. After successful operations of the Tevatron AC dipole system, AC dipole systems, similar to that in the Tevatron, will be build for the CERN LHC. We present several measurements of linear optical parameters (beta function and phase advance) for the Tevatron, as well as studies of non-linear perturbations from sextupole and octupole elements.
Direct analysis of samples by mass spectrometry: From elements to bio-molecules using laser ablation inductively couple plasma mass spectrometry and laser desorption/ionization mass spectrometry
Mass spectrometric methods that are able to analyze solid samples or biological materials with little or no sample preparation are invaluable to science as well as society. Fundamental research that has discovered experimental and instrumental parameters that inhibit fractionation effects that occur during the quantification of elemental species in solid samples by laser ablation inductively coupled plasma mass spectrometry is described. Research that determines the effectiveness of novel laser desorption/ionization mass spectrometric methods for the molecular analysis of biological tissues at atmospheric pressure and at high spatial resolution is also described. A spatial resolution is achieved that is able to analyze samples at the single cell level.
Direct measurement of anisotropy of interfacial free energy from grain boundary groove morphology in transparent organic metal analong systems
Both academia and industry alike have paid close attention to the mechanisms of microstructural selection during the solidification process. The forces that give rise to and the principles which rule the natural selection of particular morphologies are important to understanding and controlling new microstructures. Interfacial properties play a very crucial role to the selection of such microstructure formation. In the solidification of a metallic alloy, the solid-liquid interface is highly mobile and responds to very minute changes in the local conditions. At this interface, the driving force must be large enough to drive solute diffusion, maintain local curvature, and overcome the kinetic barrier to move the interface. Therefore, the anisotropy of interfacial free energy with respect to crystallographic orientation is has a significant influence on the solidification of metallic systems. Although it is generally accepted that the solid-liquid interfacial free energy and its associated anisotropy are highly important to the overall selection of morphology, the confident measurement of these particular quantities remains a challenge, and reported values are scarce. Methods for measurement of the interfacial free energy include nucleation experiments and grain boundary groove experiments. The predominant method used to determine anisotropy of interfacial energy has been equilibrium shape measurement. There have been numerous investigations involving grain boundaries at a solid-liquid interface. These studies indicated the GBG could be used to describe various interfacial energy values, which affect solidification. Early studies allowed for an estimate of interfacial energy with respect to the GBG energy, and finally absolute interfacial energy in a constant thermal gradient. These studies however, did not account for the anisotropic nature of the material at the GBG. Since interfacial energy is normally dependent on orientation of the crystallographic plane of the solid with respect to the liquid, a better calculation of interfacial energy was needed. Herring described …
A Direct Measurement of the $W$ Decay Width
A direct measurement of the W boson total decay width is presented in proton-antiproton collisions at √s = 1.96 TeV using data collected by the CDF II detector. The measurement is made by fitting a simulated signal to the tail of the transverse mass distribution in the electron and muon decay channels. An integrated luminosity of 350 pb<sup>-1</sup> is used, collected between February 2002 and August 2004. Combining the results from the separate decay channels gives the decay width as 2.038 ± 0.072 GeV in agreement with the theoretical prediction of 2.093 ± 0.002 GeV. A system is presented for the management of detector calibrations using a relational database schema. A description of the implementation and monitoring of a procedure to provide general users with a simple interface to the complete set of calibrations is also given.
Dualities in M-theory and Born-Infeld Theory
We discuss two examples of duality. The first arises in the context of toroidal compactification of the discrete light cone quantization of M-theory. In the presence of nontrivial moduli coming from the M-theory three form, it has been conjectured that the system is described by supersymmetric Yang-Mills gauge theory on a noncommutative torus. We are able to provide evidence for this conjecture, by showing that the dualities of this M-theory compactification, which correspond to T-duality in Type IIA string theory, are also dualities of the noncommutative supersymmetric Yang-Mills description. One can also consider this as evidence for the accuracy of the Matrix Theory description of M-theory in this background. The second type of duality is the self-duality of theories with U(1) gauge fields. After discussing the general theory of duality invariance for theories with complex gauge fields, we are able to find a generalization of the well known U(1) Born-Infeld theory that contains any number of gauge fields and which is invariant under the maximal duality group. We then find a supersymmetric extension of our results, and also show that our results can be extended to find Born-Infeld type actions in any even dimensional spacetime.
Effects of Substrate and Co-Culture on Neural Progenitor Cell Differentiation
In recent years the study of stem and progenitor cells has moved to the forefront of research. Since the isolation of human hematopoietic stem cells in 1988 and the subsequent discovery of a self renewing population of multipotent cells in many tissues, many researchers have envisioned a better understanding of development and potential clinical usage in intractable diseases. Both these goals, however, depend on a solid understanding of the intracellular and extracellular forces that cause stem cells to differentiate to a specific cell fate. Many diseases of large scale cell loss have been suggested as candidates for stem cell based treatments. It is proposed that replacing the function of the damaged or defective cells by specific differentiation of stem or progenitor cells could treat the disease. Before cells can be directed to specific lineages, the mechanisms of differentiation must be better understood. Differentiation in vivo is an intensively complex system that is difficult to study. The goal of this research is to develop further understanding of the effects of soluble and extracellular matrix (ECM) cues on the differentiation of neural progenitor cells with the use of a simplified in vitro culture system. Specific research objectives are to study the differentiation of neural progenitor cells in response to astrocyte conditioned medium and protein substrate composition and concentration. In an effort to reveal the mechanism of the conditioned medium interaction, a test for the presence of a feedback loop between progenitor cells and astrocytes is presented along with an examination of conditioned medium storage temperature, which can reveal enzymatic dependencies. An examination of protein substrate composition and concentration will help to reveal the role of any ECM interactions on differentiation. This thesis is organized into a literature review covering recent advances in use of external modulators of differentiation such as surface coatings, …
The Electric and Optical Properties of Doped Small Molecular Organic Light-Emitting Devices
Organic light-emitting devices (OLEDs) constitute a new and exciting emissive display technology. In general, the basic OLED structure consists of a stack of fluorescent organic layers sandwiched between a transparent conducting-anode and metallic cathode. When an appropriate bias is applied to the device, holes are injected from the anode and electrons from the cathode; some of the recombination events between the holes and electrons result in electroluminescence (EL). Until now, most of the efforts in developing OLEDs have focused on display applications, hence on devices within the visible range. However some organic devices have been developed for ultraviolet or infrared emission. Various aspects of the device physics of doped small molecular OLEDs were described and discussed. The doping layer thickness and concentration were varied systematically to study their effects on device performances, energy transfer, and turn-off dynamics. Low-energy-gap DCM2 guest molecules, in either {alpha}-NPD or DPVBi host layers, are optically efficient fluorophores but also generate deep carrier trap-sites. Since their traps reduce the carrier mobility, the current density decreases with increased doping concentration. At the same time, due to efficient energy transfer, the quantum efficiency of the devices is improved by light doping or thin doping thickness, in comparison with the undoped neat devices. However, heavy doping induces concentration quenching effects. Thus, the doping concentration and doping thickness may be optimized for best performance.
Electron-positron production in ultra-peripheral heavy-ion collisions with the STAR experiment
This thesis presents a measurement of the cross-section of the purely electromagnetic production of e{sup +}e{sup -} pairs accompanied by mutual nuclear Coulomb excitation AuAu {yields} Au*Au* + e{sup +}e{sup -}, in ultra-peripheral gold-gold collisions at RHIC at the center-of-mass collision energy of {radical}S{sub NN} = 200 GeV per nucleon. These reactions were selected by detecting neutron emission by the excited gold ions in the Zero Degree Calorimeters. The charged tracks in the e{sup +}e{sup -} events were reconstructed with the STAR Time Projection Chamber. The detector acceptance limits the kinematical range of the observed e{sup +}e{sup -} pairs; therefore the measured cross-section is extrapolated to 4{pi} with the use of Monte Carlo simulations. We have developed a Monte Carlo simulation for ultra-peripheral e{sup +}e{sup -} production at RHIC based on the Equivalent Photon Approximation, the lowest-order QED e{sup +}e{sup -} production cross-section by two real photons and the assumption that the mutual nuclear excitations and the e{sup +}e{sup -} production are independent (EPA model). We compare our experimental results to two models: the EPA model and a model based on full QED calculation of the e{sup +}e{sup -} production, taking the photon virtuality into account. The measured differential cross-section d{sigma}/dM{sub inv} (M{sub inv} - e{sup +}e{sup -} invariant mass) agrees well with both theoretical models. The measured differential cross-section d{sigma}/dp{sub {perpendicular}}{sup tot} (p{sub {perpendicular}}{sup tot} - e{sup +}e{sup -} total transverse momentum) favors the full QED calculation over the EPA model.
Error-Induced Beam Degradation in Fermilab's Accelerators
In Part I, three independent models of Fermilab's Booster synchrotron are presented. All three models are constructed to investigate and explore the effects of unavoidable machine errors on a proton beam under the influence of space-charge effects. The first is a stochastic noise model. Electric current fluctuations arising from power supplies are ubiquitous and unavoidable and are a source of instabilities in accelerators of all types. A new noise module for generating the Ornstein-Uhlenbeck (O-U) stochastic noise is first created and incorporated into the existing Object-oriented Ring Beam Injection and Tracking (ORBIT-FNAL) package. After being convinced with a preliminary model that the noise, particularly non-white noise, does matter to beam quality, we proceeded to measure directly current ripples and common-mode voltages from all four Gradient Magnet Power Supplies (GMPS). Then, the current signals are Fourier-analyzed. Based upon the power spectra of current signals, we tune up the Ornstein-Uhlnbeck noise model. As a result, we are able to closely match the frequency spectra between current measurements and the modeled O-U stochastic noise. The stochastic noise modeled upon measurements is applied to the Booster beam in the presence of the full space-charge effects. This noise model, accompanied by a suite of beam diagnostic calculations, manifests that the stochastic noise, impinging upon the beam and coupled to the space-charge effects, can substantially enhance the beam degradation process throughout the injection period. The second model is a magnet misalignment model. It is the first time to utilize the latest beamline survey data for building a magnet-by-magnet misalignment model. Given as-found survey fiducial coordinates, we calculate all types of magnet alignment errors (station error, pitch, yaw, roll, twists, etc.) are implemented in the model. We then follow up with statistical analysis to understand how each type of alignment errors are currently distributed around the Booster …
Evidence for neutrino oscillations in the Sudbury Neutrino Observatory
The Sudbury Neutrino Observatory (SNO) is a large-volume heavy water Cerenkov detector designed to resolve the solar neutrino problem. SNO observes charged-current interactions with electron neutrinos, neutral-current interactions with all active neutrinos, and elastic-scattering interactions primarily with electron neutrinos with some sensitivity to other flavors. This dissertation presents an analysis of the solar neutrino flux observed in SNO in the second phase of operation, while {approx}2 tonnes of salt (NaCl) were dissolved in the heavy water. The dataset here represents 391 live days of data. Only the events above a visible energy threshold of 5.5 MeV and inside a fiducial volume within 550 cm of the center of the detector are studied. The neutrino flux observed via the charged-current interaction is [1.71 {+-} 0.065(stat.){+-}{sub 0.068}{sup 0.065}(sys.){+-}0.02(theor.)] x 10{sup 6}cm{sup -2}s{sup -1}, via the elastic-scattering interaction is [2.21{+-}0.22(stat.){+-}{sub 0.12}{sup 0.11}(sys.){+-}0.01(theor.)] x 10{sup 6}cm{sup -2}s{sup -1}, and via the neutral-current interaction is [5.05{+-}0.23(stat.){+-}{sub 0.37}{sup 0.31}(sys.){+-}0.06(theor.)] x 10{sup 6}cm{sup -2}s{sup -1}. The electron-only flux seen via the charged-current interaction is more than 7{sigma} below the total active flux seen via the neutral-current interaction, providing strong evidence that neutrinos are undergoing flavor transformation as they travel from the core of the Sun to the Earth. The most likely origin of the flavor transformation is matter-induced flavor oscillation.
Evidence for single top quark production using Bayesian neural networks
We present results of a search for single top quark production in p{bar p} collisions using a dataset of approximately 1 fb{sup -1} collected with the D0 detector. This analysis considers the muon+jets and electron+jets final states and makes use of Bayesian neural networks to separate the expected signals from backgrounds. The observed excess is associated with a p-value of 0.081%, assuming the background-only hypothesis, which corresponds to an excess over background of 3.2 standard deviations for a Gaussian density. The p-value computed using the SM signal cross section of 2.9 pb is 1.6%, corresponding to an expected significance of 2.2 standard deviations. Assuming the observed excess is due to single top production, we measure a single top quark production cross section of {sigma}(p{bar p} {yields} tb + X, tqb + X) = 4.4 {+-} 1.5 pb.
Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach
The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.
Experimental and Numerical Investigation of the Role of Initial Condition of the Dynamics of Rayleigh-Taylor Mixing
Experiments and direct numerical simulations have been performed to examine the effects of initial conditions on the dynamics of a Rayleigh-Taylor mixing layer. Experiments were performed on a water channel facility to quantify the interfacial and velocity perturbations initially present at the two-fluid interface in a small Atwood number mixing layer. The measurements have been parameterized for implementation in numerical simulations of the experiment, and two- and three-dimensional direct numerical simulations (DNS) of the experiment have been performed. It is shown that simulations implemented with initial velocity perturbations are required to match experimentally-measured statistics. Data acquired from both the experiment and numerical simulations are used to elucidate the role of initial conditions on the evolution of integral-scale, turbulence, and mixing statistics. Early-time turbulence and mixing statistics will be shown to be strongly dependent upon the early-time transition of the initial perturbation from a weakly- to a strongly-nonlinear flow.
Fabrication, characterization and reaction studies of nanofabricated platinum model catalysts
No Description Available.
Field-induced magnetic phase transitions and correlated electronic states in the hexagonal RAgGE and RPtIn series
The present work was initially motivated by the desire to continue the study of complex metamagnetism in relation to the crystal structure of various compounds; this study already included tetragonal compounds like HoNi{sub 2}B{sub 2}C (Canfield 1997b; Kalatsky 1998) and DyAgSb{sub 2} (Myers 1999), in which the rare earths occupy unique tetragonal positions. We intended to find hexagonal systems suited for such a study, with complex metamagnetic properties, and the search for extremely anisotropic hexagonal compounds turned into a rewarding exploration. We identified and grew most of the heavy rare earth members of two isostructural series, RAgGe and RPtIn, both belonging to the hexagonal Fe{sub 2}P family of materials. In each of these series we found one compound, TmAgGe, and TbPtIn respectively, that was suitable for a simple study of angular dependent metamagnetism: they had three rare earth ions in the unit cell, positioned at a unique crystallographic site with orthorhombic point symmetry. The magnetization of both TmAgGe and TbPtIn was extremely anisotropic, with larger values for the in-plane orientation of the applied field than in the axial direction. Complex metamagnetic transitions existed for field within the ab-plane, and, similar to the case of the tetragonal compounds RNi{sub 2}B{sub 2}C and DyAgSb{sub 2}, they depended on the field orientation within the basal plane. We were thus able to develop a two-dimensional model, the three co-planar Ising-like systems model, which described well the angular dependence of the metamagnetic transitions in the TmAgGe and TbPtIn hexagonal compounds. Having three magnetic moments in the hexagonal unit cell, in orthorhombic point symmetry positions, added to the complexity of the analysis compared to the case of tetragonal compounds having one rare earth atom per unit cell, in tetragonal point symmetry. However, the three co-planar Ising-like systems model yielded complex, but intelligible angular dependencies of the …
From ZZ to ZH : How Low Can These Cross Sections Go or Everybody, Let's Cross Section Limbo!
We report on two searches performed at the D0 detector at the Fermi National Laboratory. The first is a search for Z di-boson production with a theoretical cross section of 1.4 pb. The search was performed on 2.6 fb{sup -1} of data and contributed to the first observation of ZZ production at a hadron collider. The second is a search for a low mass Standard Model Higgs in 4.2 fb{sup -1} of data. The Higgs boson is produced in association with a Z boson where the Higgs decays hadronically and the Z decays to two leptons. The ZZ search was performed in both the di-electron and di-muon channels. For the ZH search, we will focus on the muonic decays where we expanded the traditional coverage by considering events in which one of the two muons fails the selection requirement, and is instead reconstructed as an isolated track. We consider Higgs masses between 100 and 150 GeV, with theoretical cross sections ranging from 0.17 to 0.042 pb, and set upper limits on the ZH production cross-section at 95% confidence level.
Generalized Portable SHMEM Library for High Performance Computing
This dissertation describes the efforts to design and implement the Generalized Portable SHMEM library, GPSHMEM, as well as supplementary tools. There are two major components of the GPSHMEM project: the GPSHMEM library itself and the Fortran 77 source-to-source translator. The rest of this thesis is divided into two parts. Part I introduces the shared memory model and the distributed shared memory model. It explains the motivation behind GPSHMEM and presents its functionality and performance results. Part II is entirely devoted to the Fortran 77 translator call fgpp. The need for such a tool is demonstrated, functionality goals are stated, and the design issues are presented along with the development of the solutions.
Hadronic interactions in the MINOS detectors
No Description Available.
High-Contrast Imaging using Adaptive Optics for Extrasolar Planet Detection
Direct imaging of extrasolar planets is an important, but challenging, next step in planetary science. Most planets identified to date have been detected indirectly--not by emitted or reflected light but through the effect of the planet on the parent star. For example, radial velocity techniques measure the doppler shift in the spectrum of the star produced by the presence of a planet. Indirect techniques only probe about 15% of the orbital parameter space of our solar system. Direct methods would probe new parameter space, and the detected light can be analyzed spectroscopically, providing new information about detected planets. High contrast adaptive optics systems, also known as Extreme Adaptive Optics (ExAO), will require contrasts of between 10{sup -6} and 10{sup -7} at angles of 4-24 {lambda}/D on an 8-m class telescope to image young Jupiter-like planets still warm with the heat of formation. Contrast is defined as the intensity ratio of the dark wings of the image, where a planet might be, to the bright core of the star. Such instruments will be technically challenging, requiring high order adaptive optics with &gt; 2000 actuators and improved diffraction suppression. Contrast is ultimately limited by residual static wavefront errors, so an extrasolar planet imager will require wavefront control with an accuracy of better than 1 nm rms within the low- to mid-spatial frequency range. Laboratory demonstrations are critical to instrument development. The ExAO testbed at the Laboratory for Adaptive Optics was designed with low wavefront error and precision optical metrology, which is used to explore contrast limits and develop the technology needed for an extrasolar planet imager. A state-of-the-art, 1024-actuator micro-electrical-mechanical-systems (MEMS) deformable mirror was installed and characterized to provide active wavefront control and test this novel technology. I present 6.5 x 10{sup -8} contrast measurements with a prolate shaped pupil and flat …
High Precision Hypernuclear Spectroscopy Study by the (e,e'K) Reaction
Jefferson Lab experiment E89009 is the first experiment to study hypernuclear spectroscopy by (e,e' K{sup +}) reaction. The 12 / LambdaB spectrum was observed from carbon target with the best energy resolution ever achieved from direct measurement of hypernuclear spectrum. The comparisons of the 12 / LambdaB spectrum with theoretical predictions were provided in terms of excitation strength and level separations. The overall excitation is in accord with theoretical calculations. The binding energies of p-shell and s-shell Lambda states were extracted. The photo-production cross section of the 12 / LambdaB ground state was also extracted. The experiment is also the pioneer in detecting scattered electrons at near zero degrees. The benefit and lessons learned from this method was also discussed.
High Precision Spectroscopy of Lambda-Hypernuclei by (e, e' K{sup +}) reaction and gamma-ray measurement
Hypernuclei, with one nucleon converted into a hyperon and coupled back to the residual nuclear core, provide a new probe to study the hyperon-nucleon interaction and an additional strangeness degree of freedom to test the limit of our conventional nuclear models in solving the many body system. The First Lambda electroproduction experiment E89009(HNSS) at JLAB focusing on the Lambda hypernuclear spectroscopy in p-shell achieved the best resolution( FWHM: 500-600 keV) ever reached in this field. The unnatural parity (spin-flip) states were observed for the first time on the 12 / Lambda B missing mass spectrum. The detailed hypernuclear structure of 9 / Lambda Be produced through (k{sup -}, pi{sup -}) reaction in BNL-AGS, was studied with the hypernuclear gamma-ray spectroscopy by using a large acceptance germanium detector (Hyperball) in experiment E-930.
High Resolution Studies of the Origins of Polyatomic Ions in Inductively Coupled Plasma-Mass Spectrometry
The inductively coupled plasma (ICP) is an atmospheric pressure ionization source. Traditionally, the plasma is sampled via a sampler cone. A supersonic jet develops behind the sampler, and this region is pumped down to a pressure of approximately one Torr. A skimmer cone is located inside this zone of silence to transmit ions into the mass spectrometer. The position of the sampler and skimmer cones relative to the initial radiation and normal analytical zones of the plasma is key to optimizing the useful analytical signal [1]. The ICP both atomizes and ionizes the sample. Polyatomic ions form through ion-molecule interactions either in the ICP or during ion extraction [l]. Common polyatomic ions that inhibit analysis include metal oxides (MO{sup +}), adducts with argon, the gas most commonly used to make up the plasma, and hydride species. While high resolution devices can separate many analytes from common interferences, this is done at great cost in ion transmission efficiency--a loss of 99% when using high versus low resolution on the same instrument [2]. Simple quadrupole devices, which make up the bulk of ICP-MS instruments in existence, do not present this option. Therefore, if the source of polyatomic interferences can be determined and then manipulated, this could potentially improve the figures of merit on all ICP-MS devices, not just the high resolution devices often utilized to study polyatomic interferences.
High-Tc SQUIDs: Noise and applications
No Description Available.
High-Throughput Genetic Analysis and Combinatorial Chiral Separations Based on Capillary Electrophoresis
Capillary electrophoresis (CE) offers many advantages over conventional analytical methods, such as speed, simplicity, high resolution, low cost, and small sample consumption, especially for the separation of enantiomers. However, chiral method developments still can be time consuming and tedious. They designed a comprehensive enantioseparation protocol employing neutral and sulfated cyclodextrins as chiral selectors for common basic, neutral, and acidic compounds with a 96-capillary array system. By using only four judiciously chosen separation buffers, successful enantioseparations were achieved for 49 out of 54 test compounds spanning a large variety of pKs and structures. Therefore, unknown compounds can be screened in this manner to identify optimal enantioselective conditions in just one rn. In addition to superior separation efficiency for small molecules, CE is also the most powerful technique for DNA separations. Using the same multiplexed capillary system with UV absorption detection, the sequence of a short DNA template can be acquired without any dye-labels. Two internal standards were utilized to adjust the migration time variations among capillaries, so that the four electropherograms for the A, T, C, G Sanger reactions can be aligned and base calling can be completed with a high level of confidence. the CE separation of DNA can be applied to study differential gene expression as well. Combined with pattern recognition techniques, small variations among electropherograms obtained by the separation of cDNA fragments produced from the total RNA samples of different human tissues can be revealed. These variations reflect the differences in total RNA expression among tissues. Thus, this Ce-based approach can serve as an alternative to the DNA array techniques in gene expression analysis.
Hiking the valleys of quatum chemistry
This thesis is concerned with both the application and the extension of quantum chemical methods. Each chapter of the thesis represents a paper that has been published in or will be submitted to a scientific journal. The first three chapters of this thesis describe contributions made to chemistry through the use of quantum chemical methods, while the final two chapters illustrate the development of new methods. Chapter 2 and Chapter 3 characterize a study of the electronic structure and magnetic properties of homodinuclear titanium(III) complexes, in order to determine trends related to their potential use as molecular magnets. Chapter 2 focuses on hydride and halide bridging and terminal ligands, while Chapter 3 explores bridging ligands from other groups in the periodic table. Chapter 4 portrays a study of the solvation of glycine. Microsolvation and continuum solvation approaches are investigated in order to study the structures of small glycine-water clusters and determine the energy difference between the zwitterionic and nonionized forms of glycine, the simplest amino acid. Chapters 5 and 6 describe the implementation of analytic gradients, which are required for efficient molecular geometry optimizations, for two open-shell second-order perturbation theory methods. Chapter 5 discusses gradients for unrestricted Moeller-Plesset perturbation theory, and Chapter 6 describes gradients for Z-averaged perturbation theory.
Hydrogen Storage Properties of Lithium Aluminohydride Modified by Dopants and Mechanochemistry
Alkali metal aluminohydrides have high potential as solid hydrogen storage materials. They have been known for their irreversible dehydrogenation process below 100 atm until Bogdanovic et al [1, 2] succeeded in the re-hydrogenation of NaAlH{sub 4} below 70 atm. They achieved 4 wt.% H{sub 2} reversible capacity by doping NaAlH{sub 4} with Ti and/or Fe organo-metalic compounds as catalysts. This suggests that other alkali and, possibly alkaline earth metal aluminohydrides can be used for reversible hydrogen storage when modified by proper dopants. In this research, Zr{sub 27}Ti{sub 9}Ni{sub 38}V{sub 5}Mn{sub 16}Cr{sub 5}, LaNi{sub 4.85}Sn{sub 0.15}, Al{sub 3}Ti, and PdCl{sub 2} were combined , LaNi4.85Sn0.15, Al3Ti, and PdCl2 were combined with LiAlH{sub 4} by ball-milling to study whether or not LiAlH{sub 4} is capable to both absorb and desorb hydrogen near ambient conditions. X-ray powder diffraction, differential thermal analysis, and scanning electron microscopy were employed for sample characterizations. All four compounds worked as catalysts in the dehydrogenation reactions of both LiAlH{sub 4} and Li{sub 3}AlH{sub 6} by inducing the decomposition at lower temperature. However, none of them was applicable as catalyst in the reverse hydrogenation reaction at low to moderate hydrogen pressure.
Imaging Catalytic Surfaces by Multiplexed Capillary Electrophoresis With Absorption Detection
A new technique for in situ imaging and screening heterogeneous catalysts by using multiplexed capillary electrophoresis with absorption detection was developed. By bundling the inlets of a large number of capillaries, an imaging probe can be created that can be used to sample products formed directly from a catalytic surface with high spatial resolution. In this work, they used surfaces made of platinum, iron or gold wires as model catalytic surfaces for imaging. Various shapes were recorded including squares and triangles. Model catalytic surfaces consisting of both iron and platinum wires in the shape of a cross were also imaged successfully. Each of the two wires produced a different electrochemical product that was separated by capillary electrophoresis. Based on the collected data they were able to distinguish the products from each wire in the reconstructed image.
Improving the toughness of ultrahigh strength steel
The ideal structural steel combines high strength with high fracture toughness. This dissertation discusses the toughening mechanism of the Fe/Co/Ni/Cr/Mo/C steel, AerMet 100, which has the highest toughness/strength combination among all commercial ultrahigh strength steels. The possibility of improving the toughness of this steel was examined by considering several relevant factors.
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